SCHEMBL4007876

SCHEMBL4007876

CS(=O)(=O)c1ccccc1S(=O)(=O)Oc1ccc2[nH]nc(C#N)c2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ ALPL P05186 2/20 0.36
▸ TTK P33981 4/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ F2 P00734 4/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4004255 0.83 CYP1A2 (0.39) LRRK2TTKMEN1ESR1KMT2A
SCHEMBL4006912 0.82 MEN1 (0.41) NTRK1TTKMEN1ESR1KMT2A
SCHEMBL4007104 0.82 F2 (0.38) ALPLTTKMEN1ESR1KMT2A
SCHEMBL4003706 0.82 TTK (0.37) NTRK1TTKMEN1ESR1KMT2A
SCHEMBL4007930 0.81 TTK (0.56) LRRK2NTRK1ALPLTTKMAPK8
SCHEMBL4010189 0.81 NTRK1 (0.39) LRRK2NTRK1TTKMEN1ESR1
SCHEMBL4008425 0.78 PRKAG1 (0.40) NTRK1TTKMAPK8F2
SCHEMBL4010109 0.78 ITK (0.44) NTRK1MEN1KMT2AITK
SCHEMBL4006373 0.77 NTRK1 (0.41) LRRK2NTRK1ALPLTTKMAPK8
SCHEMBL4008356 0.76 YTHDC1 (0.53) NTRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 — — US disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 — — US disclosed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 — — US disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 LRRK2 527/4885NTRK1 1342/4885ALPL 2118/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 LRRK2 671/4885NTRK1 1376/4885ALPL 2355/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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